4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide

C14H21N3O2 — CID 63357269

IUPAC4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCC2CCCO2)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)10-4-5-12(15)13(9-10)17-7-6-11-3-2-8-19-11/h4-5,9,11,17H,2-3,6-8,15H2,1H3,(H,16,18)
InChIKeyFFAMESLMXLGIHN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.61
Rot. Bonds5

About 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide

4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide (PubChem CID 63357269) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
PubChem CID63357269
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide
SMILESCNC(=O)c1ccc(N)c(NCCC2CCCO2)c1
InChIInChI=1S/C14H21N3O2/c1-16-14(18)10-4-5-12(15)13(9-10)17-7-6-11-3-2-8-19-11/h4-5,9,11,17H,2-3,6-8,15H2,1H3,(H,16,18)
InChIKeyFFAMESLMXLGIHN-UHFFFAOYSA-N
XLogP1.61
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-methyl-3-(oxolan-2-ylmethylamino)benzamide
CID 63356726
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
4-amino-3-(cyclobutylmethylamino)-N-methylbenzamide
CID 63357593
3-amino-4-(2-cyclopropylethylamino)-N-methylbenzamide
CID 83000366
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
4-acetyl-2-[2-(oxolan-2-yl)ethylamino]benzonitrile
CID 133466422
4-amino-N-hydroxy-3-[[(2S)-oxetan-2-yl]methylamino]benzamide
CID 178171731
4-amino-N-methyl-3-(3-morpholin-4-ylpropylamino)benzamide
CID 63357336
methyl 4-amino-3-(oxetan-2-ylmethylamino)benzoate
CID 135141200
3-amino-N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzamide
CID 133164866
5-amino-N-methyl-2-[[(2R)-oxolan-2-yl]methylamino]benzamide
CID 100641777
4-amino-3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-methylbenzamide
CID 55190894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide (CID 63357269) is 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide is CNC(=O)c1ccc(N)c(NCCC2CCCO2)c1.
What is the InChIKey of 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide?
The InChIKey is FFAMESLMXLGIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-14(18)10-4-5-12(15)13(9-10)17-7-6-11-3-2-8-19-11/h4-5,9,11,17H,2-3,6-8,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide?
4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-3-[2-(oxolan-2-yl)ethylamino]benzamide is sourced from PubChem (CID 63357269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).